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Adavosertib

CAT: 0013-GTR19160659-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160659-07Size:100 mg
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Description
A potent and selective small-molecule inhibitor of Wee1 kinase with IC50 of 5.2 nM; exhibits ATP-competitive and highly selective against other serine/threonine or tyrosine kinases; inhibits phosphorylation of CDC2 at Tyr15 in cells; potentiates tumor growth inhibition in vivo.Lung Cancer Phase 2 Clinical (In Vitro) :Adavosertib (MK-1775) enhances the cytotoxic effects of 5-FU in p53-deficient human colon cancer cells. Adavosertib (MK-1775) inhibits CDC2 Y15 phosphorylation in cells, abrogates DNA damaged checkpoints induced by 5-FU treatment, and causes premature entry of mitosis determined by induction of Histone H3 phosphorylation. Adavosertib (MK-1775) abrogates the radiation-induced G2 block in p53-defective cells but not in p53 wild-type lines. The combination of NSC 613327 with Adavosertib (MK-1775) produces robust anti-tumor activity and remarkably enhances tumor regression response (4.01 fold) compared to NSC 613327 treatment in p53-deficient tumors. (In Vivo) :In vivo, Adavosertib (MK-1775) potentiates the anti-tumor efficacy of 5-FU at tolerable doses. Adavosertib (MK-1775) (60 mg/kg twice daily, p.o.) enhances H1299 xenograft tumor response to fractionated radiotherapy. Adavosertib (MK-1775) (30 mg/kg. p.o.) regresses tumor growth in PANC198, PANC215 and PANC185 as compared to GEM treated mice.
CAS Number
955365-80-7
Product Name Alternative
AZD-1775 | MK-1775
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
O=C1N (CC=C) N (C2=NC (C (C) (O) C) =CC=C2) C3=NC (NC4=CC=C (N5CCN (C) CC5) C=C4) =NC=C31
Molecular Formula
C27H32N8O2
Molecular Weight
500.5954
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
3H-Pyrazolo[3,4-d]pyrimidin-3-one, 1,2-dihydro-1-[6- (1-hydroxy-1-methylethyl) -2-pyridinyl]-6-[[4- (4-methyl-1-piperazinyl) phenyl]amino]-2- (2-propen-1-yl) -

Chemical Information

MK 1775

Adavosertib is a member of the class of pyrazolopyrimidines that is 1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one substituted by 6-(2-hydroxypropan-2-yl)pyridin-2-yl, prop-1-en-3-yl, [4-(4-methylpiperazin-1-yl)phenyl]amino groups at positions 1, 2, and 6, respectively. It is a potent and selective oral inhibitor of WEE1 kinase. It has a role as an antineoplastic agent and an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a member of pyridines, a tertiary alcohol, a pyrazolopyrimidine, a N-arylpiperazine, a N-methylpiperazine and a secondary amino compound.

CAS Number955365-80-7
PubChem CID24856436
IUPAC Name1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
Molecular FormulaC27H32N8O2
Molecular Weight500.6
XLogP3.1
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity795
SMILES
CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O
InChI
InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)
InChIKey
BKWJAKQVGHWELA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MK 1775
CAS: 955365-80-7
CID: 24856436
Formula: C27H32N8O2
MW: 500.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.6
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass500.26482229
Monoisotopic Mass500.26482229
Topological Polar Surface Area101 Ų
Heavy Atom Count37
Formal Charge0
Complexity795
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T2077-01Adavosertib
HY-177928Adavosertib acid
HY-10993R-01Adavosertib (Standard)
S1525-1gAdavosertib (MK-1775)
BA4565-1Pomalidomide-C3-adavosertib

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